Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50048371'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50048371 (CHEMBL3310004) Show SMILES Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)C(=O)NCCO Show InChI InChI=1S/C20H18N6O4/c21-20-24-18-13-3-2-12(19(28)22-5-6-27)9-14(13)23-17(26(18)25-20)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7,9,27H,5-6,8,10H2,(H2,21,25)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay				Bioorg Med Chem 22: 4135-50 (2014) Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD
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